3-{[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
3-{[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P047-0457 |
| Compound Name: | 3-{[3-oxo-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C18 H17 N5 O3 S2 |
| Smiles: | C1CSCCN1S(C1C=CC2=NN(Cc3cccc(C#N)c3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.385 |
| logD: | 1.3849 |
| logSw: | -2.2549 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.567 |
| InChI Key: | SGHBSVDMNZMWNR-UHFFFAOYSA-N |